(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide

C19H25N5O2 — CID 97200087

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)NCc2cc(-c3ccccc3)n[nH]2)CC1=O
InChIInChI=1S/C19H25N5O2/c1-23(2)8-9-24-13-15(10-18(24)25)19(26)20-12-16-11-17(22-21-16)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3,(H,20,26)(H,21,22)/t15-/m1/s1
InChIKeyPUPSOYBIYUBDFM-OAHLLOKOSA-N
MW355.44 g/mol
LogP1.10
Rot. Bonds7

About (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide

(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97200087) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID97200087
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)NCc2cc(-c3ccccc3)n[nH]2)CC1=O
InChIInChI=1S/C19H25N5O2/c1-23(2)8-9-24-13-15(10-18(24)25)19(26)20-12-16-11-17(22-21-16)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3,(H,20,26)(H,21,22)/t15-/m1/s1
InChIKeyPUPSOYBIYUBDFM-OAHLLOKOSA-N
XLogP1.10
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(3R)-1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97198038
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72924619
(3R)-1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97206956
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
(3R)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923495
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923496
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 97200087) is (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide is CN(C)CCN1C[C@H](C(=O)NCc2cc(-c3ccccc3)n[nH]2)CC1=O.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is PUPSOYBIYUBDFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(2)8-9-24-13-15(10-18(24)25)19(26)20-12-16-11-17(22-21-16)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12-13H2,1-2H3,(H,20,26)(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97200087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).